N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride

C13H16ClN3S — CID 45264499

IUPACN'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.NCCc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C13H15N3S.ClH/c14-8-7-10-3-5-11(6-4-10)16-13(15)12-2-1-9-17-12;/h1-6,9H,7-8,14H2,(H2,15,16);1H
InChIKeyVJWIQACOZCECMN-UHFFFAOYSA-N
MW281.81 g/mol
LogP2.71
Rot. Bonds4

About N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride

N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 45264499) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
PubChem CID45264499
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.NCCc1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C13H15N3S.ClH/c14-8-7-10-3-5-11(6-4-10)16-13(15)12-2-1-9-17-12;/h1-6,9H,7-8,14H2,(H2,15,16);1H
InChIKeyVJWIQACOZCECMN-UHFFFAOYSA-N
XLogP2.71
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
CID 449021
N-(4-{2-[(3-{[(E)-Imino(Thiophen-2-Yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-Carboximidamide
CID 72725798
N-[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725800
4-(Thiophen-2-yl)aniline
CID 1072474
1-[4-[5-(4-Guanidinophenyl)-2-thienyl]phenyl]guanidine
CID 501319
N-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
CID 10524594
N'-[4-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260533
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
CID 45264975
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237
N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
CID 90644565
N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide
CID 90644567

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride (CID 45264499) is N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride is Cl.NCCc1ccc(/N=C(\N)c2cccs2)cc1.
What is the InChIKey of N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is VJWIQACOZCECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.ClH/c14-8-7-10-3-5-11(6-4-10)16-13(15)12-2-1-9-17-12;/h1-6,9H,7-8,14H2,(H2,15,16);1H.
What are the key properties of N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride?
N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 45264499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).